Glycoside
GD078854
Name:
NoneFormula:
C18H23O5N3SSmiles:
C=CCn1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)cn1Aglycone:
C=CCn1cc(Nc2ccc(S)cc2)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.47 | Num_heavy_atoms: | 27 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD36230
Formula: C12H13N3S
Smiles:
C=CCn1cc(Nc2ccc(S)cc2)cn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 231.32 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
